[(Z)-1,3-diphenylprop-1-en-2-yl]sulfanylbenzene
Formula:C21H18S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,3-diphenylprop-1-en-2-yl]sulfanylbenzene is not a drug-like molecule.
| MolName | [(Z)-1,3-diphenylprop-1-en-2-yl]sulfanylbenzene |
| MolecularFormula | C21H18S |
| Smiles | C(/C(/Sc1ccccc1)=C/c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H18S/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-16H,17H2 |
| InChIK | QBKRTRHXUIKMDC-UHFFFAOYSA-N |
| TotalMolweight | 302.44 |
| Molweight | 302.44 |
| MonoisotopicMass | 302.11292 |
| CLogP | 6.081 |
| CLogS | -5.661 |
| TotalSurfaceArea | 248.74 |
| Relative PSA | 0.070314 |
| PolarSurfaceArea | 25.3 |
| Druglikeness | 0.80865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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